SCHEMBL2654973

SCHEMBL2654973

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)c(C=NOC(C)(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
GCGR P47871 7/20 0.34
GIPR P48546 2/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MAPT P10636 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2655009 0.94 GCGR (0.40) PPARDPPARAGCGRGIPRFFAR1
SCHEMBL2654060 0.86 GCGR (0.40) GCGRGIPR
SCHEMBL2656241 0.84 PPARD (0.42) ROCK2ROCK1MEN1KMT2APPARD
SCHEMBL2662283 0.83 MEN1 (0.46) ROCK2ROCK1MEN1KMT2AGCGR
SCHEMBL1765320 0.83 GCGR (0.48) GCGRGIPR
SCHEMBL1765317 0.83 GCGR (0.48) GCGRGIPR
SCHEMBL2654250 0.80 NPC1 (0.41) GCGRGIPRCA12CA1CA2
SCHEMBL2655056 0.79 GCGR (0.47) ROCK2ROCK1MEN1KMT2APPARD
SCHEMBL2654589 0.78 GCGR (0.48) PPARDGCGRGIPRFFAR1FFAR4
SCHEMBL2657119 0.77 NR1H4 (0.47) MEN1KMT2AGCGRCA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed